SCHEMBL8553302

SCHEMBL8553302

O=C(O)OC1CCN(C(=O)C2CN(N3CCN(c4ccncc4)CC3)C(=O)O2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
ITGB3 P05106 7/20 0.40
ITGA2B P08514 7/20 0.40
CHRM1 P11229 7/20 0.37
LSS P48449 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8553297 0.87 ITGB3 (0.46) HRH3ITGB3ITGA2BCHRM1LSS
SCHEMBL8644656 0.82 HRH3 (0.39) HRH3ITGB3ITGA2B
SCHEMBL8356608 0.77 AKR1C3 (0.38) ITGB3ITGA2BLSS
SCHEMBL9024372 0.76 ITGB3 (0.59) HRH3ITGB3ITGA2B
SCHEMBL8551745 0.75 HRH3 (0.36) HRH3ITGB3ITGA2B
SCHEMBL8552905 0.74 SIGMAR1 (0.33)
SCHEMBL8592431 0.73 HRH3 (0.45) HRH3ITGB3ITGA2BLSS
SCHEMBL8595580 0.71 HTR7 (0.34) HRH3
SCHEMBL8357011 0.71 ITGB3 (0.46) HRH3ITGB3ITGA2BCHRM1LSS
SCHEMBL8589135 0.70 HRH3 (0.44) HRH3ITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839147-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-05-06 EP disclosed
WO-1997003072-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-01-30 WO disclosed